5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene

C10H16NO+ — CID 59379130

IUPAC5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene
SMILESCC1=C(C)C2=C1OCC[N+]2(C)C
InChIInChI=1S/C10H16NO/c1-7-8(2)10-9(7)11(3,4)5-6-12-10/h5-6H2,1-4H3/q+1
InChIKeyOAPZBJCAHKKZOK-UHFFFAOYSA-N
MW166.24 g/mol
LogP1.65
Rot. Bonds

About 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene

5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene (PubChem CID 59379130) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene.

Molecular Properties

Compound Name5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene
PubChem CID59379130
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene
SMILESCC1=C(C)C2=C1OCC[N+]2(C)C
InChIInChI=1S/C10H16NO/c1-7-8(2)10-9(7)11(3,4)5-6-12-10/h5-6H2,1-4H3/q+1
InChIKeyOAPZBJCAHKKZOK-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,7-tetramethyl-3,6-dihydro-2H-cyclopenta[b][1,4]oxazin-4-ium
CID 58759438
5,7,8-Trimethyl-2-oxa-5-azabicyclo[4.2.0]octa-1(8),6-diene
CID 59379131
4,7,7-Trimethyl-2,3-dihydrocyclohepta[b][1,4]oxazine
CID 142096969
(3E)-4-methyl-3-(3-methylbut-3-en-2-ylidene)-2-methylidenemorpholine
CID 144087897
ethane;(3E)-4-methyl-3-(3-methylbut-3-en-2-ylidene)-2-methylidenemorpholine
CID 144499255
4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
CID 144790360
4,8-dimethyl-3,5-dihydro-2H-cyclohepta[b][1,4]oxazine
CID 144790361

Frequently Asked Questions

What is the IUPAC name of 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene?
The IUPAC name of 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene (CID 59379130) is 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene.
What is the SMILES notation for 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene?
The canonical SMILES for 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene is CC1=C(C)C2=C1OCC[N+]2(C)C.
What is the InChIKey of 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene?
The InChIKey is OAPZBJCAHKKZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO/c1-7-8(2)10-9(7)11(3,4)5-6-12-10/h5-6H2,1-4H3/q+1.
What are the key properties of 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene?
5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene has a molecular weight of 166.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,8-tetramethyl-2-oxa-5-azoniabicyclo[4.2.0]octa-1(6),7-diene is sourced from PubChem (CID 59379130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).